5,6-epoxy-pinolidoxin (CHEBI:214894)

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CHEBI:214894 - 5,6-epoxy-pinolidoxin

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ChEBI ID	CHEBI:214894
ChEBI Name	5,6-epoxy-pinolidoxin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H26O7
Net Charge	0
Average Mass	354.399
Monoisotopic Mass	354.16785
SMILES	C/C=C/C=C/C(=O)OC1CCC2OC2C(O)C(O)C(CCC)OC1=O
InChI	InChI=1S/C18H26O7/c1-3-5-6-8-14(19)23-13-10-9-12-17(24-12)16(21)15(20)11(7-4-2)25-18(13)22/h3,5-6,8,11-13,15-17,20-21H,4,7,9-10H2,1-2H3/b5-3+,8-6+
InChIKey	SHDFNLHXMKWTEL-QFXXITGJSA-N

Species of Metabolite	Component	Source	Comments
Didymella pinodes (ncbitaxon:749589)	-	DOI (10.1021/np50101a011)

ChEBI Ontology

Outgoing Relation(s)
	5,6-epoxy-pinolidoxin (CHEBI:214894) is a fatty acid ester (CHEBI:35748)

IUPAC Name
(2,3-dihydroxy-6-oxo-4-propyl-5,11-dioxabicyclo[8.1.0]undecan-7-yl) (2E,4E)-hexa-2,4-dienoate

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78444821	ChemSpider